1. Robust half-metallicity in nonmetal atoms intercalated two-dimensional GaN bilayer.
- Author
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Pan, Bai, Lin, Like, Huang, Yineng, Wu, Linglu, Bao, Sitong, Lu, Haiming, and Xia, Yidong
- Subjects
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PHASE transitions , *GALLIUM nitride , *NONMETALS , *DENSITY functional theory , *ATOMS , *BILAYER lipid membranes - Abstract
Transition metal-free half-metallicity recently has been the subject of intense research activity due to its potential in spintronics application. By employing density functional theory calculations, we revealed that F-intercalated GaN bilayers exhibit robust p orbital-based half-metallicity against the intercalant concentration and biaxial strain of −10% to 10%. The stable half-metallicity results from a spontaneous phase transition through Stoner instability and can be attributed to unusually high density of states near the Fermi level due to the quasi-flat bands. These findings provide a strategy to design transition-metal free half-metallic materials for futuristic spintronic applications. [ABSTRACT FROM AUTHOR]
- Published
- 2023
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